6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C48H40N2 — CID 67816340

IUPAC6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc(C)ccc56)c(C)c4)cc3C)cccc2c1
InChIInChI=1S/C48H40N2/c1-33-21-25-43-39(29-33)13-11-19-47(43)49(41-15-7-5-8-16-41)45-27-23-37(31-35(45)3)38-24-28-46(36(4)32-38)50(42-17-9-6-10-18-42)48-20-12-14-40-30-34(2)22-26-44(40)48/h5-32H,1-4H3
InChIKeyXZWRTBDIEUIBKV-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.83
Rot. Bonds7

About 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 67816340) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID67816340
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC Name6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc(C)ccc56)c(C)c4)cc3C)cccc2c1
InChIInChI=1S/C48H40N2/c1-33-21-25-43-39(29-33)13-11-19-47(43)49(41-15-7-5-8-16-41)45-27-23-37(31-35(45)3)38-24-28-46(36(4)32-38)50(42-17-9-6-10-18-42)48-20-12-14-40-30-34(2)22-26-44(40)48/h5-32H,1-4H3
InChIKeyXZWRTBDIEUIBKV-UHFFFAOYSA-N
XLogP13.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[bis(6-methylnaphthalen-1-yl)amino]phenyl]phenyl]-6-methyl-N-(6-methylnaphthalen-1-yl)naphthalen-1-amine
CID 19991278
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-[4-[4-[6-[4-[4-(2,4-dimethyl-N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]-N-(3,4-dimethylphenyl)naphthalen-1-amine;N-(2,4-dimethylphenyl)-N-[4-[4-[6-[4-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]-2,4-dimethylaniline
CID 160901094
2-methyl-4-[3-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)naphthalen-2-amine;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)phenanthren-9-amine;2-methyl-4-[3-methyl-4-(N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-phenylaniline;2-methyl-4-[3-methyl-4-(N-(2-methylphenyl)-4-phenylanilino)phenyl]-N-(2-methylphenyl)-N-(4-phenylphenyl)aniline;2-methyl-4-[3-methyl-4-(N-(2-phenylphenyl)anilino)phenyl]-N-phenyl-N-(2-phenylphenyl)aniline
CID 162178861
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 67816340) is 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is Cc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc(C)ccc56)c(C)c4)cc3C)cccc2c1.
What is the InChIKey of 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is XZWRTBDIEUIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-33-21-25-43-39(29-33)13-11-19-47(43)49(41-15-7-5-8-16-41)45-27-23-37(31-35(45)3)38-24-28-46(36(4)32-38)50(42-17-9-6-10-18-42)48-20-12-14-40-30-34(2)22-26-44(40)48/h5-32H,1-4H3.
What are the key properties of 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 644.86 g/mol, XLogP of 13.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 67816340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).